CID 11138018

Amppt

Structural Information

Molecular Formula

C₆H₁₄NO₄P

SMILES

CC(CCP(=O)(C)O)(C(=O)O)N

InChI

InChI=1S/C6H14NO4P/c1-6(7,5(8)9)3-4-12(2,10)11/h3-4,7H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

BGDOUYCSLAVFRE-UHFFFAOYSA-N

Compound name

2-amino-4-[hydroxy(methyl)phosphoryl]-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 195.06604 Da
Monoisotopic Mass: -4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.073316	145.3
[M+Na]+	218.055258	151.2
[M-H]-	194.058764	141.3
[M+NH4]+	213.099863	163.2
[M+K]+	234.029198	150.6
[M+H-H2O]+	178.063300	139.2
[M+HCOO]-	240.064241	168.7
[M+CH3COO]-	254.079891	181.0
[M+Na-2H]-	216.040706	147.6
[M]+	195.06549142	145.0
[M]-	195.06658858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe